CHEMBL4061793
| SMILES | O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC23CCCN2CCC3)cc1F |
| InChIKey | XFWKBJBSEOZBRA-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 430.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 5.1 | 5.1 | 5.1 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 5.1 | 5.1 | 5.1 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 5.1 | 5.1 | 5.1 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 5.42 | 5.42 | 5.42 | ChEMBL |